Vitas-M small molecule compound
N-(4-oxo-2-sulfanyl-6,7,8,9-tetrahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-3(5H)-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Catalog ID
STK438577
SMILES O=C(c1csc2c1CCCC2)Nn1c(S)nc2c(c1=O)c1CCCCCc1s2
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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 C20H21N3O2S3 MW 431.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N3O2S3/c24-17(13-10-27-14-8-5-4-6-11(13)14)22-23-19(25)16-12-7-2-1-3-9-15(12)28-18(16)21-20(23)26/h10H,1-9H2,(H,21,26)(H,22,24)InChIKey
QIGRDDRJMAEVDR-UHFFFAOYSA-NSynonyms
C1CCC2=C(CC1)SC3=C2C(=O)N(C(=S)N3)NC(=O)C4=CSC5=C4CCCC5
InChI=1SC20H21N3O2S3c2417(13102714854611(13)14)222319(25)16127213915(12)2818(16)2120(23)26h10H19H2(H2126)(H2224)
MFCD03945457
N(4oxo2sulfanyl6789tetrahydro4Hcyclohepta(45)thieno(23d)pyrimidin3(5H)yl)4567tetrahydro1benzothiophene3carboxamide
N(4oxo2sulfanylidene156789hexahydrocyclohepta(23)thieno(24b)pyrimidin3yl)4567tetrahydro1benzothiophene3carboxamide
ZINC000017097686
ZINC17097686
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