Vitas-M small molecule compound
4-[(E)-{2-[(2E)-2-[(phenylcarbonyl)amino]-3-(thiophen-2-yl)prop-2-enoyl]hydrazinylidene}methyl]phenyl 3,4,5-trimethoxybenzoate
Catalog ID
STK370394
SMILES COc1cc(cc(c1OC)OC)C(=O)Oc1ccc(cc1)/C=N/NC(=O)/C(=C\c1cccs1)/NC(=O)c1ccccc1
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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 C31H27N3O7S MW 585.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H27N3O7S/c1-38-26-16-22(17-27(39-2)28(26)40-3)31(37)41-23-13-11-20(12-14-23)19-32-34-30(36)25(18-24-10-7-15-42-24)33-29(35)21-8-5-4-6-9-21/h4-19H,1-3H3,(H,33,35)(H,34,36)/b25-18+,32-19+InChIKey
XBFJHHAHIIHOHO-VGCYATJLSA-NSynonyms
(4((E)(((E)2benzamido3thiophen2ylprop2enoyl)hydrazinylidene)methyl)phenyl)345trimethoxybenzoate
4((E)(2((2E)2((phenylcarbonyl)amino)3(thiophen2yl)prop2enoyl)hydrazinylidene)methyl)phenyl345trimethoxybenzoate
COC1=CC(=CC(=C1OC)OC)C(=O)OC2=CC=C(C=C2)C=NNC(=O)C(=CC3=CC=CS3)NC(=O)C4=CC=CC=C4
COc1cc(cc(c1OC)OC)C(=O)Oc1ccc(cc1)C=NNC(=O)C(=Cc1cccs1)NC(=O)c1ccccc1
InChI=1SC31H27N3O7Sc138261622(1727(392)28(26)403)31(37)4123131120(121423)19323430(36)25(1824107154224)3329(35)218546921h419H13H3(H3335)(H3436)b2518+3219+
MFCD02066908
ZINC000008565924
ZINC102107777
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