Vitas-M small molecule compound
methyl (2Z)-5-benzyl-2-({[5-(ethoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]carbonyl}imino)-2,3-dihydro-1,3-thiazole-4-carboxylate
Catalog ID
STL311408
SMILES CCOC(=O)c1[nH]c(c(c1C)C(=O)/N=c\1/[nH]c(c(s1)Cc1ccccc1)C(=O)OC)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 C22H23N3O5S MW 441.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23N3O5S/c1-5-30-21(28)17-12(2)16(13(3)23-17)19(26)25-22-24-18(20(27)29-4)15(31-22)11-14-9-7-6-8-10-14/h6-10,23H,5,11H2,1-4H3,(H,24,25,26)InChIKey
XKJDSPMCXYYXMR-UHFFFAOYSA-NSynonyms
1442083-84-21442083842
CCOC(=O)c1(nH)c(c(c1C)C(=O)N=c1(nH)c(c(s1)Cc1ccccc1)C(=O)OC)C
CCOC(=O)C1=C(C(=C(N1)C)C(=O)NC2=NC(=C(S2)CC3=CC=CC=C3)C(=O)OC)C
InChI=1SC22H23N3O5Sc153021(28)1712(2)16(13(3)2317)19(26)25222418(20(27)294)15(3122)111497681014h61023H511H214H3(H242526)
methyl(2Z)5benzyl2(((5(ethoxycarbonyl)24dimethyl1Hpyrrol3yl)carbonyl)imino)23dihydro13thiazole4carboxylate
methyl5benzyl2((5ethoxycarbonyl24dimethyl1Hpyrrole3carbonyl)amino)13thiazole4carboxylate
MFCD28026082
ZINC000095474039
ZINC95474039
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