Vitas-M small molecule compound
N-(4-oxo-2-sulfanyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)-1,3-benzodioxole-5-carboxamide
Catalog ID
STK437248
SMILES O=C(c1ccc2c(c1)OCO2)Nn1c(S)nc2c(c1=O)c1CCCCc1s2
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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 C18H15N3O4S2 MW 401.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H15N3O4S2/c22-15(9-5-6-11-12(7-9)25-8-24-11)20-21-17(23)14-10-3-1-2-4-13(10)27-16(14)19-18(21)26/h5-7H,1-4,8H2,(H,19,26)(H,20,22)InChIKey
HNQGHVAFUUATLY-UHFFFAOYSA-NSynonyms
C1CCC2=C(C1)C3=C(S2)NC(=S)N(C3=O)NC(=O)C4=CC5=C(C=C4)OCO5
InChI=1SC18H15N3O4S2c2215(9561112(79)2582411)202117(23)1410312413(10)2716(14)1918(21)26h57H148H2(H1926)(H2022)
MFCD03944705
N(4oxo2sulfanyl5678tetrahydro(1)benzothieno(23d)pyrimidin3(4H)yl)13benzodioxole5carboxamide
N(4oxo2sulfanylidene5678tetrahydro1H(1)benzothiolo(23d)pyrimidin3yl)13benzodioxole5carboxamide
ZINC000017082199
ZINC17082199
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