Vitas-M small molecule compound
5-methyl-4-oxo-2-sulfanyl-3-[(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-ylcarbonyl)amino]-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylic acid
Catalog ID
STK441969
SMILES O=C(c1cc2c(s1)CCCCC2)Nn1c(S)nc2c(c1=O)c(C)c(s2)C(=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 C18H17N3O4S3 MW 435.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17N3O4S3/c1-8-12-15(28-13(8)17(24)25)19-18(26)21(16(12)23)20-14(22)11-7-9-5-3-2-4-6-10(9)27-11/h7H,2-6H2,1H3,(H,19,26)(H,20,22)(H,24,25)InChIKey
CZDKFROFCJSILK-UHFFFAOYSA-NSynonyms
5methyl4oxo2sulfanyl3((5678tetrahydro4Hcyclohepta(b)thiophen2ylcarbonyl)amino)34dihydrothieno(23d)pyrimidine6carboxylicacid
5methyl4oxo2sulfanylidene3(5678tetrahydro4Hcyclohepta(b)thiophene2carbonylamino)1Hthieno(23d)pyrimidine6carboxylicacid
CC1=C(SC2=C1C(=O)N(C(=S)N2)NC(=O)C3=CC4=C(S3)CCCCC4)C(=O)O
InChI=1SC18H17N3O4S3c181215(2813(8)17(24)25)1918(26)21(16(12)23)2014(22)11795324610(9)2711h7H26H21H3(H1926)(H2022)(H2425)
MFCD03900617
ZINC000017099647
ZINC17099647
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