Vitas-M small molecule compound

N~2~-[7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-N-{3-[3-(1H-indol-3-yl)propyl]-1H-1,2,4-triazol-5-yl}isoleucinamide

Catalog ID
STL551267
SMILES CCC(C(C(=O)Nc1[nH]nc(n1)CCCc1c[nH]c2c1cccc2)Nc1ccc2c(cc1=O)C(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C40H47N7O6 MW 721.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C40H47N7O6/c1-7-22(2)36(39(50)45-40-44-34(46-47-40)14-10-11-25-21-41-29-13-9-8-12-26(25)29)43-31-18-16-27-28(20-32(31)49)30(42-23(3)48)17-15-24-19-33(51-4)37(52-5)38(53-6)35(24)27/h8-9,12-13,16,18-22,30,36,41H,7,10-11,14-15,17H2,1-6H3,(H,42,48)(H
InChIKey
XCNTVFJFDXIERL-UHFFFAOYSA-N
Synonyms

(2S3R)N(5(3(1Hindol3yl)propyl)1H124triazol3yl)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)3methylpentanamide
132285945
2((7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(5(3(1~(H)indol3yl)propyl)1~(H)124triazol3yl)3methylpentanamide
CC(C@H)((C@@H)(C(=O)Nc1n(nH)c(n1)CCCc1c(nH)c2c1cccc2)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C
InChI=1SC40H47N7O6c1722(2)36(39(50)45404434(464740)1410112521412913981226(25)29)433118162728(2032(31)49)30(4223(3)48)1715241933(514)37(525)38(536)35(24)27h891213161822303641H71011141517H216H3(H4248)(H4349)(H24445464750)
MFCD31758037
N~2~(7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(3(3(1Hindol3yl)propyl)1H124triazol5yl)isoleucinamide
ZINC000888089353
ZINC000888089356

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Available files

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