Vitas-M small molecule compound
ethyl (2Z)-2-{[1-(2-ethoxy-2-oxoethyl)-2-methyl-1H-indol-3-yl]methylidene}-7-methyl-5-[4-(methylsulfanyl)phenyl]-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK018590
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)SC)c(=O)/c(=C/c1c(C)n(c3c1cccc3)CC(=O)OCC)/s2
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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 C31H31N3O5S2 MW 589.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H31N3O5S2/c1-6-38-26(35)17-33-19(4)23(22-10-8-9-11-24(22)33)16-25-29(36)34-28(20-12-14-21(40-5)15-13-20)27(30(37)39-7-2)18(3)32-31(34)41-25/h8-16,28H,6-7,17H2,1-5H3/b25-16-InChIKey
WRRNQGMKIPSRPT-XYGWBWBKSA-NSynonyms
CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)SC)c(=O)c(=Cc1c(C)n(c3c1cccc3)CC(=O)OCC)s2
CCOC(=O)CN1C(=C(C2=CC=CC=C21)C=C3C(=O)N4C(C(=C(N=C4S3)C)C(=O)OCC)C5=CC=C(C=C5)SC)C
ETHYL(2Z)2((1(2ETHOXY2OXOETHYL)2METHYL1HINDOL3YL)METHYLIDENE)7METHYL5(4(METHYLSULFANYL)PHENYL)3OXO23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ETHYL(2Z)2((1(2ETHOXY2OXOETHYL)2METHYLINDOL3YL)METHYLIDENE)7METHYL5(4METHYLSULFANYLPHENYL)3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC31H31N3O5S2c163826(35)173319(4)23(2210891124(22)33)162529(36)3428(20121421(405)151320)27(30(37)3972)18(3)3231(34)4125h81628H6717H215H3b2516
MFCD08049743
STK018590
ZINC000097957996
ZINC000097957997
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