Vitas-M small molecule compound

4-{[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]amino}-N-[4-(5-methoxy-2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]butanamide

Catalog ID
STL550914
SMILES COc1ccc2c(c1)c(c1csc(n1)NC(=O)CCCNc1ccc3c(cc1=O)[C@H](CCc1c3c(OC)c(c(c1)OC)OC)NC(=O)C)c([nH]2)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 C38H41N5O7S MW 711.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H41N5O7S/c1-20-34(26-17-23(47-3)10-13-28(26)40-20)30-19-51-38(42-30)43-33(46)8-7-15-39-29-14-11-24-25(18-31(29)45)27(41-21(2)44)12-9-22-16-32(48-4)36(49-5)37(50-6)35(22)24/h10-11,13-14,16-19,27,40H,7-9,12,15H2,1-6H3,(H,39,45)(H,41,44)(H,42,43,
InChIKey
KMGTZJCJAHXVAG-MHZLTWQESA-N
Synonyms

(S)4((7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(4(5methoxy2methyl1Hindol3yl)thiazol2yl)butanamide
127253153
4(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(4(5methoxy2methyl1~(H)indol3yl)13thiazol2yl)butanamide
4(((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(4(5methoxy2methyl1Hindol3yl)13thiazol2yl)butanamide
COc1ccc2c(c1)c(c1csc(n1)NC(=O)CCCNc1ccc3c(cc1=O)(C@H)(CCc1c3c(OC)c(c(c1)OC)OC)NC(=O)C)c((nH)2)C
InChI=1SC38H41N5O7Sc12034(261723(473)101328(26)4020)30195138(4230)4333(46)8715392914112425(1831(29)45)27(4121(2)44)129221632(484)36(495)37(506)35(22)24h1011131416192740H791215H216H3(H3945)(H4144)(H424346)t27m0s1
ZINC000604404968
ZINC604404968

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Available files

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