Vitas-M small molecule compound

ethyl 3-{[(2E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino}-6-methoxy-1H-indole-2-carboxylate

Catalog ID
STK558053
SMILES CCOC(=O)c1[nH]c2c(c1NC(=O)/C=C/c1ccc3c(c1)OCO3)ccc(c2)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 C22H20N2O6 MW 408.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N2O6/c1-3-28-22(26)21-20(15-7-6-14(27-2)11-16(15)23-21)24-19(25)9-5-13-4-8-17-18(10-13)30-12-29-17/h4-11,23H,3,12H2,1-2H3,(H,24,25)/b9-5+
InChIKey
PVGPPSMNZYDUHH-WEVVVXLNSA-N
Synonyms
578722-15-3
(E)ethyl3(3(benzo(d)(13)dioxol5yl)acrylamido)6methoxy1Hindole2carboxylate
578722153
CCOC(=O)c1(nH)c2c(c1NC(=O)C=Cc1ccc3c(c1)OCO3)ccc(c2)OC
CCOC(=O)C1=C(C2=C(N1)C=C(C=C2)OC)NC(=O)C=CC3=CC4=C(C=C3)OCO4
ethyl3(((2E)3(13benzodioxol5yl)prop2enoyl)amino)6methoxy1Hindole2carboxylate
ETHYL3(((E)3(13BENZODIOXOL5YL)PROP2ENOYL)AMINO)6METHOXY1HINDOLE2CARBOXYLATE
InChI=1SC22H20N2O6c132822(26)2120(157614(272)1116(15)2321)2419(25)9513481718(1013)30122917h41123H312H212H3(H2425)b95+
MFCD04029760
ZINC000002389652
ZINC02389652
ZINC2389652

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Available files

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