Vitas-M small molecule compound
(5E)-1-(3-chloro-4-methylphenyl)-5-({1-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1H-indol-3-yl}methylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STL371840
SMILES O=C(N1CCCC1)Cn1cc(c2c1cccc2)/C=C/1\C(=O)NC(=S)N(C1=O)c1ccc(c(c1)Cl)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 C26H23ClN4O3S MW 507.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23ClN4O3S/c1-16-8-9-18(13-21(16)27)31-25(34)20(24(33)28-26(31)35)12-17-14-30(22-7-3-2-6-19(17)22)15-23(32)29-10-4-5-11-29/h2-3,6-9,12-14H,4-5,10-11,15H2,1H3,(H,28,33,35)/b20-12+InChIKey
KGBQVDCOJKSZEU-UDWIEESQSA-NSynonyms
(5E)1(3chloro4methylphenyl)5((1(2oxo2(pyrrolidin1yl)ethyl)1Hindol3yl)methylidene)2thioxodihydropyrimidine46(1H5H)dione
(5E)1(3CHLORO4METHYLPHENYL)5((1(2OXO2PYRROLIDIN1YLETHYL)INDOL3YL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
CC1=C(C=C(C=C1)N2C(=O)C(=CC3=CN(C4=CC=CC=C43)CC(=O)N5CCCC5)C(=O)NC2=S)Cl
InChI=1SC26H23ClN4O3Sc1168918(1321(16)27)3125(34)20(24(33)2826(31)35)12171430(22732619(17)22)1523(32)2910451129h23691214H45101115H21H3(H283335)b2012+
MFCD02954694
O=C(N1CCCC1)Cn1cc(c2c1cccc2)C=C1C(=O)NC(=S)N(C1=O)c1ccc(c(c1)Cl)C
ZINC000000634775
ZINC634775
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