Vitas-M small molecule compound
ethyl (2Z)-2-{[1-(3,4-dichlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-5-(2-methoxyphenyl)-3-oxo-7-propyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK064876
SMILES CCOC(=O)C1=C(CCC)N=c2n(C1c1ccccc1OC)c(=O)/c(=C/c1cc(n(c1C)c1ccc(c(c1)Cl)Cl)C)/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 C32H31Cl2N3O4S MW 624.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H31Cl2N3O4S/c1-6-10-25-28(31(39)41-7-2)29(22-11-8-9-12-26(22)40-5)37-30(38)27(42-32(37)35-25)16-20-15-18(3)36(19(20)4)21-13-14-23(33)24(34)17-21/h8-9,11-17,29H,6-7,10H2,1-5H3/b27-16-InChIKey
AVSNKTPXICJONV-YUMHPJSZSA-NSynonyms
CCCC1=C(C(N2C(=O)C(=CC3=C(N(C(=C3)C)C4=CC(=C(C=C4)Cl)Cl)C)SC2=N1)C5=CC=CC=C5OC)C(=O)OCC
CCOC(=O)C1=C(CCC)N=c2n(C1c1ccccc1OC)c(=O)c(=Cc1cc(n(c1C)c1ccc(c(c1)Cl)Cl)C)s2
ETHYL(2Z)2((1(34DICHLOROPHENYL)25DIMETHYL1HPYRROL3YL)METHYLIDENE)5(2METHOXYPHENYL)3OXO7PROPYL23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ETHYL(2Z)2((1(34DICHLOROPHENYL)25DIMETHYLPYRROL3YL)METHYLIDENE)5(2METHOXYPHENYL)3OXO7PROPYL5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ETHYL2((1(34DICHLOROPHENYL)25DIMETHYL1HPYRROL3YL)METHYLENE)5(2METHOXYPHENYL)3OXO7PROPYL23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC32H31Cl2N3O4Sc16102528(31(39)4172)29(2211891226(22)405)3730(38)27(4232(37)3525)16201518(3)36(19(20)4)21131423(33)24(34)1721h89111729H6710H215H3b2716
MFCD03068380
STK064876
ZINC000008383825
ZINC000008383828
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