Vitas-M small molecule compound

4-tert-butyl-N-[(1E)-3-{[2-(1H-indol-3-yl)ethyl]amino}-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide

Catalog ID
STK998047
SMILES O=C(/C(=C\c1cccc(c1)[N+](=O)[O-])/NC(=O)c1ccc(cc1)C(C)(C)C)NCCc1c[nH]c2c1cccc2

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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 C30H30N4O4 MW 510.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H30N4O4/c1-30(2,3)23-13-11-21(12-14-23)28(35)33-27(18-20-7-6-8-24(17-20)34(37)38)29(36)31-16-15-22-19-32-26-10-5-4-9-25(22)26/h4-14,17-19,32H,15-16H2,1-3H3,(H,31,36)(H,33,35)/b27-18+
InChIKey
BYZLLQSHRFSMKH-OVVQPSECSA-N
Synonyms
796880-15-4
(E)N(3((2(1Hindol3yl)ethyl)amino)1(3nitrophenyl)3oxoprop1en2yl)4(tertbutyl)benzamide
4tertbutylN((1E)3((2(1Hindol3yl)ethyl)amino)1(3nitrophenyl)3oxoprop1en2yl)benzamide
4TERTBUTYLN((E)3(2(1HINDOL3YL)ETHYLAMINO)1(3NITROPHENYL)3OXOPROP1EN2YL)BENZAMIDE
796880154
CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=CC2=CC(=CC=C2)(N+)(=O)(O))C(=O)NCCC3=CNC4=CC=CC=C43
InChI=1SC30H30N4O4c130(23)23131121(121423)28(35)3327(182076824(1720)34(37)38)29(36)311615221932261054925(22)26h414171932H1516H213H3(H3136)(H3335)b2718+
MFCD03670112
O=C(C(=Cc1cccc(c1)(N+)(=O)(O))NC(=O)c1ccc(cc1)C(C)(C)C)NCCc1c(nH)c2c1cccc2
ZINC000002201463
ZINC02201463
ZINC2201463

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Available files

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