Vitas-M small molecule compound
propan-2-yl (1-{[(2E)-3-(2-methoxyphenyl)prop-2-enoyl]carbamothioyl}-3-oxopiperazin-2-yl)acetate
Catalog ID
STL064565
SMILES COc1ccccc1/C=C/C(=O)NC(=S)N1CCNC(=O)C1CC(=O)OC(C)C
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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 C20H25N3O5S MW 419.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H25N3O5S/c1-13(2)28-18(25)12-15-19(26)21-10-11-23(15)20(29)22-17(24)9-8-14-6-4-5-7-16(14)27-3/h4-9,13,15H,10-12H2,1-3H3,(H,21,26)(H,22,24,29)/b9-8+InChIKey
UCSDETDWVFOQPE-CMDGGOBGSA-NSynonyms
CC(C)OC(=O)CC1C(=O)NCCN1C(=S)NC(=O)C=CC2=CC=CC=C2OC
COc1ccccc1C=CC(=O)NC(=S)N1CCNC(=O)C1CC(=O)OC(C)C
InChI=1SC20H25N3O5Sc113(2)2818(25)121519(26)21101123(15)20(29)2217(24)9814645716(14)273h491315H1012H213H3(H2126)(H222429)b98+
METHYLETHYL2(1(((2E)3(2METHOXYPHENYL)PROP2ENOYLAMINO)THIOXOMETHYL)3OXOPIPERAZIN2YL)ACETATE
MFCD05872267
propan2yl(1(((2E)3(2methoxyphenyl)prop2enoyl)carbamothioyl)3oxopiperazin2yl)acetate
PROPAN2YL2(1(((E)3(2METHOXYPHENYL)PROP2ENOYL)CARBAMOTHIOYL)3OXOPIPERAZIN2YL)ACETATE
ZINC000006358373
ZINC000006358377
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