Vitas-M small molecule compound
N-(4-nitrophenyl)-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}acetamide
Catalog ID
STL000911
SMILES C=CCn1c(SCC(=O)Nc2ccc(cc2)[N+](=O)[O-])nc2c(c1=O)c1CCCc1s2
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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 C20H18N4O4S2 MW 442.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N4O4S2/c1-2-10-23-19(26)17-14-4-3-5-15(14)30-18(17)22-20(23)29-11-16(25)21-12-6-8-13(9-7-12)24(27)28/h2,6-9H,1,3-5,10-11H2,(H,21,25)InChIKey
BHTQGBYUYXBOBP-UHFFFAOYSA-NSynonyms
797025-55-92((3allyl4oxo4567tetrahydro3Hcyclopenta(45)thieno(23d)pyrimidin2yl)thio)N(4nitrophenyl)acetamide
797025559
C=CCN1C(=O)C2=C(N=C1SCC(=O)NC3=CC=C(C=C3)(N+)(=O)(O))SC4=C2CCC4
C=CCn1c(SCC(=O)Nc2ccc(cc2)(N+)(=O)(O))nc2c(c1=O)c1CCCc1s2
InChI=1SC20H18N4O4S2c12102319(26)171443515(14)3018(17)2220(23)291116(25)21126813(9712)24(27)28h269H1351011H2(H2125)
MFCD03674787
N(4nitrophenyl)2((1oxo2prop2enyl78dihydro6Hcyclopenta(23)thieno(24b)pyrimidin3yl)sulfanyl)acetamide
N(4nitrophenyl)2((4oxo3(prop2en1yl)3567tetrahydro4Hcyclopenta(45)thieno(23d)pyrimidin2yl)sulfanyl)acetamide
ZINC000009076099
ZINC09076099
ZINC9076099
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