Vitas-M small molecule compound
2-{[8-(4-chlorophenyl)-2,3,4,8-tetrahydropyrazolo[4,3-e]pyrimido[1,2-c]pyrimidin-6-yl]sulfanyl}-N-(3-nitrophenyl)acetamide
Catalog ID
STL351329
SMILES O=C(Nc1cccc(c1)[N+](=O)[O-])CSc1nc2n(ncc2c2=NCCCn12)c1ccc(cc1)Cl
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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 C22H18ClN7O3S MW 495.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18ClN7O3S/c23-14-5-7-16(8-6-14)29-21-18(12-25-29)20-24-9-2-10-28(20)22(27-21)34-13-19(31)26-15-3-1-4-17(11-15)30(32)33/h1,3-8,11-12H,2,9-10,13H2,(H,26,31)InChIKey
VKQMMFBALCDMDO-UHFFFAOYSA-NSynonyms
1010889-04-91010889049
2((8(4chlorophenyl)2348tetrahydropyrazolo(43e)pyrimido(12c)pyrimidin6yl)sulfanyl)N(3nitrophenyl)acetamide
2((8(4chlorophenyl)2348tetrahydropyrazolo(43e)pyrimido(12c)pyrimidin6yl)thio)N(3nitrophenyl)acetamide
C1CN=C2C3=C(N=C(N2C1)SCC(=O)NC4=CC(=CC=C4)(N+)(=O)(O))N(N=C3)C5=CC=C(C=C5)Cl
InChI=1SC22H18ClN7O3Sc23145716(8614)292118(122529)2024921028(20)22(2721)341319(31)261531417(1115)30(32)33h1381112H291013H2(H2631)
MFCD12201836
O=C(Nc1cccc(c1)(N+)(=O)(O))CSc1nc2n(ncc2c2=NCCCn12)c1ccc(cc1)Cl
ZINC000012390209
ZINC12390209
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