Vitas-M small molecule compound
5-(7-hydroxy-3-methyl-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-4-yl)-1,3-dimethyl-1,3-dihydro-2H-benzimidazol-2-one
Catalog ID
STK930352
SMILES OC1=Nc2[nH]nc(c2C(SC1)c1ccc2c(c1)n(C)c(=O)n2C)C
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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 C16H17N5O2S MW 343.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17N5O2S/c1-8-13-14(24-7-12(22)17-15(13)19-18-8)9-4-5-10-11(6-9)21(3)16(23)20(10)2/h4-6,14H,7H2,1-3H3,(H2,17,18,19,22)InChIKey
CQFHJJXYGRMJIF-UHFFFAOYSA-NSynonyms
1232797-72-61232797726
4(13dimethyl2oxobenzimidazol5yl)3methyl24dihydro1Hpyrazolo(34e)(14)thiazepin7one
5(7hydroxy3methyl46dihydro1Hpyrazolo(34e)(14)thiazepin4yl)13dimethyl13dihydro2Hbenzimidazol2one
CC1=C2C(SCC(=O)N=C2NN1)C3=CC4=C(C=C3)N(C(=O)N4C)C
InChI=1SC16H17N5O2Sc181314(24712(22)1715(13)19188)9451011(69)21(3)16(23)20(10)2h4614H7H213H3(H217181922)
MFCD18176619
OC1=Nc2(nH)nc(c2C(SC1)c1ccc2c(c1)n(C)c(=O)n2C)C
ZINC000044891034
ZINC000044891037
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