Vitas-M small molecule compound
ethyl {(2Z)-2-[({[4-oxo-3-(prop-2-en-1-yl)-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetyl)imino]-2,3-dihydro-1,3-thiazol-4-yl}acetate
Catalog ID
STK847094
SMILES CCOC(=O)Cc1cs/c(=N\C(=O)CSc2nc3sc4c(c3c(=O)n2CC=C)CCC4)/[nH]1
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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 C21H22N4O4S3 MW 490.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N4O4S3/c1-3-8-25-19(28)17-13-6-5-7-14(13)32-18(17)24-21(25)31-11-15(26)23-20-22-12(10-30-20)9-16(27)29-4-2/h3,10H,1,4-9,11H2,2H3,(H,22,23,26)InChIKey
VBMQTTGTSNTYAQ-UHFFFAOYSA-NSynonyms
488827-51-6488827516
CCOC(=O)CC1=CSC(=N1)NC(=O)CSC2=NC3=C(C4=C(S3)CCC4)C(=O)N2CC=C
CCOC(=O)Cc1csc(=NC(=O)CSc2nc3sc4c(c3c(=O)n2CC=C)CCC4)(nH)1
ethyl((2Z)2((((4oxo3(prop2en1yl)3567tetrahydro4Hcyclopenta(45)thieno(23d)pyrimidin2yl)sulfanyl)acetyl)imino)23dihydro13thiazol4yl)acetate
ethyl2(2((2((1oxo2prop2enyl78dihydro6Hcyclopenta(23)thieno(24b)pyrimidin3yl)sulfanyl)acetyl)amino)13thiazol4yl)acetate
InChI=1SC21H22N4O4S3c1382519(28)171365714(13)3218(17)2421(25)311115(26)23202212(103020)916(27)2942h310H14911H22H3(H222326)
MFCD03801053
ZINC000008837939
ZINC08837939
ZINC8837939
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