Vitas-M small molecule compound
methyl (2Z)-2-({[5-(ethoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]carbonyl}imino)-5-phenyl-2,3-dihydro-1,3-thiazole-4-carboxylate
Catalog ID
STL312783
SMILES CCOC(=O)c1[nH]c(c(c1C)C(=O)/N=c/1\sc(c([nH]1)C(=O)OC)c1ccccc1)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 C21H21N3O5S MW 427.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N3O5S/c1-5-29-20(27)15-11(2)14(12(3)22-15)18(25)24-21-23-16(19(26)28-4)17(30-21)13-9-7-6-8-10-13/h6-10,22H,5H2,1-4H3,(H,23,24,25)InChIKey
FLLBOIRQHSDULG-UHFFFAOYSA-NSynonyms
1574495-51-41574495514
CCOC(=O)c1(nH)c(c(c1C)C(=O)N=c1sc(c((nH)1)C(=O)OC)c1ccccc1)C
CCOC(=O)C1=C(C(=C(N1)C)C(=O)NC2=NC(=C(S2)C3=CC=CC=C3)C(=O)OC)C
InChI=1SC21H21N3O5Sc152920(27)1511(2)14(12(3)2215)18(25)24212316(19(26)284)17(3021)1397681013h61022H5H214H3(H232425)
methyl(2Z)2(((5(ethoxycarbonyl)24dimethyl1Hpyrrol3yl)carbonyl)imino)5phenyl23dihydro13thiazole4carboxylate
methyl2((5ethoxycarbonyl24dimethyl1Hpyrrole3carbonyl)amino)5phenyl13thiazole4carboxylate
MFCD28029726
ZINC000095475036
ZINC95475036
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