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-1H-pyrazol-4-ylvalinamide
Catalog ID
STL549546
SMILES COc1c2c(CCC(c3c2ccc(c(=O)c3)NC(C(=O)Nc2c[nH]nc2)C(C)C)NC(=O)C)cc(c1OC)OC
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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 C29H35N5O6 MW 549.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H35N5O6/c1-15(2)26(29(37)33-18-13-30-31-14-18)34-22-10-8-19-20(12-23(22)36)21(32-16(3)35)9-7-17-11-24(38-4)27(39-5)28(40-6)25(17)19/h8,10-15,21,26H,7,9H2,1-6H3,(H,30,31)(H,32,35)(H,33,37)(H,34,36)InChIKey
DXFNTHPFNPDYKA-UHFFFAOYSA-NSynonyms
(S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)3methylN(1Hpyrazol4yl)butanamide
132286122
2((7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)3methyl~(N)(1~(H)pyrazol4yl)butanamide
COc1c2c(CC(C@@H)(c3c2ccc(c(=O)c3)N(C@H)(C(=O)Nc2c(nH)nc2)C(C)C)NC(=O)C)cc(c1OC)OC
InChI=1SC29H35N5O6c115(2)26(29(37)33181330311418)34221081920(1223(22)36)21(3216(3)35)97171124(384)27(395)28(406)25(17)19h810152126H79H216H3(H3031)(H3235)(H3337)(H3436)
MFCD31757048
N~2~(7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N1Hpyrazol4ylvalinamide
ZINC000604404185
ZINC000888089461
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