Vitas-M small molecule compound
N-(4-methyl-1,3-benzothiazol-2-yl)-2-[(4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
Catalog ID
STL122443
SMILES O=C(Nc1sc2c(n1)c(C)ccc2)CSc1nc2sc3c(c2c(=O)[nH]1)CCCC3
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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 C20H18N4O2S3 MW 442.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N4O2S3/c1-10-5-4-8-13-16(10)22-20(29-13)21-14(25)9-27-19-23-17(26)15-11-6-2-3-7-12(11)28-18(15)24-19/h4-5,8H,2-3,6-7,9H2,1H3,(H,21,22,25)(H,23,24,26)InChIKey
NXIZRTAFBPWBTC-UHFFFAOYSA-NSynonyms
CC1=C2C(=CC=C1)SC(=N2)NC(=O)CSC3=NC4=C(C5=C(S4)CCCC5)C(=O)N3
InChI=1SC20H18N4O2S3c1105481316(10)2220(2913)2114(25)927192317(26)1511623712(11)2818(15)2419h458H23679H21H3(H212225)(H232426)
MFCD17011680
N(4methyl13benzothiazol2yl)2((4oxo345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)acetamide
N(4methyl13benzothiazol2yl)2((4oxo5678tetrahydro3H(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)acetamide
O=C(Nc1sc2c(n1)c(C)ccc2)CSc1nc2sc3c(c2c(=O)(nH)1)CCCC3
ZINC000048513871
ZINC48513871
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