Vitas-M small molecule compound
7-tert-butyl-2-(3-nitrophenyl)-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one
Catalog ID
STK535350
SMILES O=C1NC(Nc2c1c1CCC(Cc1s2)C(C)(C)C)c1cccc(c1)[N+](=O)[O-]
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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 C20H23N3O3S MW 385.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23N3O3S/c1-20(2,3)12-7-8-14-15(10-12)27-19-16(14)18(24)21-17(22-19)11-5-4-6-13(9-11)23(25)26/h4-6,9,12,17,22H,7-8,10H2,1-3H3,(H,21,24)InChIKey
YROMVRSKSQJAMU-UHFFFAOYSA-NSynonyms
7(tertbutyl)2(3nitrophenyl)235678hexahydrobenzo(45)thieno(23d)pyrimidin4(1H)one
7tertbutyl2(3nitrophenyl)235678hexahydro(1)benzothieno(23d)pyrimidin4(1H)one
7tertbutyl2(3nitrophenyl)235678hexahydro1H(1)benzothiolo(23d)pyrimidin4one
CC(C)(C)C1CCC2=C(C1)SC3=C2C(=O)NC(N3)C4=CC(=CC=C4)(N+)(=O)(O)
InChI=1SC20H23N3O3Sc120(23)12781415(1012)271916(14)18(24)2117(2219)1154613(911)23(25)26h469121722H7810H213H3(H2124)
MFCD01039380
O=C1NC(Nc2c1c1CCC(Cc1s2)C(C)(C)C)c1cccc(c1)(N+)(=O)(O)
ZINC000000989921
ZINC000000989924
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