Vitas-M small molecule compound
5'-acetyl-3'-(4-methoxyphenyl)-7-methyl-3-phenyl-5,6,7,8-tetrahydro-1H,3'H-spiro[1-benzothieno[2,3-d]pyrimidine-2,2'-[1,3,4]thiadiazol]-4(3H)-one
Catalog ID
STK733740
SMILES COc1ccc(cc1)N1N=C(SC21Nc1sc3c(c1C(=O)N2c1ccccc1)CCC(C3)C)C(=O)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 C27H26N4O3S2 MW 518.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N4O3S2/c1-16-9-14-21-22(15-16)35-25-23(21)26(33)30(18-7-5-4-6-8-18)27(28-25)31(29-24(36-27)17(2)32)19-10-12-20(34-3)13-11-19/h4-8,10-13,16,28H,9,14-15H2,1-3H3InChIKey
CQTOXQOZDOIXNO-UHFFFAOYSA-NSynonyms
5acetyl3(4methoxyphenyl)7methyl3phenyl5678tetrahydro1H3Hspiro(1benzothieno(23d)pyrimidine22(134)thiadiazol)4(3H)one
5acetyl3(4methoxyphenyl)7methyl3phenylspiro(134thiadiazole225678tetrahydro1H(1)benzothiolo(23d)pyrimidine)4one
CC1CCC2=C(C1)SC3=C2C(=O)N(C4(N3)N(N=C(S4)C(=O)C)C5=CC=C(C=C5)OC)C6=CC=CC=C6
InChI=1SC27H26N4O3S2c1169142122(1516)352523(21)26(33)30(187546818)27(2825)31(2924(3627)17(2)32)19101220(343)131119h4810131628H91415H213H3
MFCD02103080
ZINC000008426587
ZINC000008426592
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