Vitas-M small molecule compound
[1-{2-[(3-chlorophenyl)amino]-2-oxoethyl}-2,4-dioxo-1,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-3(2H)-yl]acetic acid
Catalog ID
STK609531
SMILES Clc1cccc(c1)NC(=O)Cn1c(=O)n(CC(=O)O)c(=O)c2c1sc1c2CCCC1
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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 C20H18ClN3O5S MW 447.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18ClN3O5S/c21-11-4-3-5-12(8-11)22-15(25)9-24-19-17(13-6-1-2-7-14(13)30-19)18(28)23(20(24)29)10-16(26)27/h3-5,8H,1-2,6-7,9-10H2,(H,22,25)(H,26,27)InChIKey
QGFHSTREJCBHBK-UHFFFAOYSA-NSynonyms
903201-14-9(1(2((3chlorophenyl)amino)2oxoethyl)24dioxo145678hexahydro(1)benzothieno(23d)pyrimidin3(2H)yl)aceticacid
2(1(2((3chlorophenyl)amino)2oxoethyl)24dioxo125678hexahydrobenzo(45)thieno(23d)pyrimidin3(4H)yl)aceticacid
2(1(2(3chloroanilino)2oxoethyl)24dioxo5678tetrahydro(1)benzothiolo(23d)pyrimidin3yl)aceticacid
903201149
C1CCC2=C(C1)C3=C(S2)N(C(=O)N(C3=O)CC(=O)O)CC(=O)NC4=CC(=CC=C4)Cl
InChI=1SC20H18ClN3O5Sc211143512(811)2215(25)9241917(13612714(13)3019)18(28)23(20(24)29)1016(26)27h358H1267910H2(H2225)(H2627)
MFCD08292123
ZINC000009435783
ZINC9435783
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