Vitas-M small molecule compound
ethyl 4-{[(2E)-4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2(3H)-ylidene]carbamoyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate
Catalog ID
STL313121
SMILES CCOC(=O)c1[nH]c(c(c1C)C(=O)/N=c\1/scc([nH]1)c1ccc2c(c1)OCO2)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 C20H19N3O5S MW 413.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19N3O5S/c1-4-26-19(25)17-10(2)16(11(3)21-17)18(24)23-20-22-13(8-29-20)12-5-6-14-15(7-12)28-9-27-14/h5-8,21H,4,9H2,1-3H3,(H,22,23,24)InChIKey
LLMXWGZFSHXCAI-UHFFFAOYSA-NSynonyms
1442084-77-61442084776
CCOC(=O)c1(nH)c(c(c1C)C(=O)N=c1scc((nH)1)c1ccc2c(c1)OCO2)C
CCOC(=O)C1=C(C(=C(N1)C)C(=O)NC2=NC(=CS2)C3=CC4=C(C=C3)OCO4)C
ethyl4(((2E)4(13benzodioxol5yl)13thiazol2(3H)ylidene)carbamoyl)35dimethyl1Hpyrrole2carboxylate
ethyl4((4(13benzodioxol5yl)13thiazol2yl)carbamoyl)35dimethyl1Hpyrrole2carboxylate
InChI=1SC20H19N3O5Sc142619(25)1710(2)16(11(3)2117)18(24)23202213(82920)12561415(712)2892714h5821H49H213H3(H222324)
MFCD28029916
ZINC000095475278
ZINC95475278
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