Vitas-M small molecule compound
N-[(2Z)-3-(1,3-benzodioxol-5-yl)-2-{[(2-chlorophenyl)carbonyl]amino}prop-2-enoyl]-beta-alanine
Catalog ID
STK386489
SMILES OC(=O)CCNC(=O)/C(=C/c1ccc2c(c1)OCO2)/NC(=O)c1ccccc1Cl
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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 C20H17ClN2O6 MW 416.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17ClN2O6/c21-14-4-2-1-3-13(14)19(26)23-15(20(27)22-8-7-18(24)25)9-12-5-6-16-17(10-12)29-11-28-16/h1-6,9-10H,7-8,11H2,(H,22,27)(H,23,26)(H,24,25)/b15-9-InChIKey
BJRAGOBDGIWCDB-DHDCSXOGSA-NSynonyms
332374-11-5(Z)3(3(benzo(d)(13)dioxol5yl)2(2chlorobenzamido)acrylamido)propanoicacid
3(((Z)3(13BENZODIOXOL5YL)2((2CHLOROBENZOYL)AMINO)PROP2ENOYL)AMINO)PROPANOICACID
3(3(2HBENZO(34D)13DIOXOLEN5YL)(2Z)2((2CHLOROPHENYL)CARBONYLAMINO)PROP2ENOYLAMINO)PROPANOICACID
332374115
C1OC2=C(O1)C=C(C=C2)C=C(C(=O)NCCC(=O)O)NC(=O)C3=CC=CC=C3Cl
InChI=1SC20H17ClN2O6c2114421313(14)19(26)2315(20(27)228718(24)25)912561617(1012)29112816h16910H7811H2(H2227)(H2326)(H2425)b159
MFCD01948998
N((2Z)3(13BENZODIOXOL5YL)2(((2CHLOROPHENYL)CARBONYL)AMINO)PROP2ENOYL)BETAALANINE
OC(=O)CCNC(=O)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1Cl
ZINC000004503297
ZINC4503297
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