Vitas-M small molecule compound
N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-{[4-oxo-3-(prop-2-en-1-yl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide
Catalog ID
STL056307
SMILES C=CCn1c(SCC(=O)Nc2ccc(cc2)c2nc3c(s2)cc(cc3)C)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 C29H26N4O2S3 MW 558.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H26N4O2S3/c1-3-14-33-28(35)25-20-6-4-5-7-22(20)37-27(25)32-29(33)36-16-24(34)30-19-11-9-18(10-12-19)26-31-21-13-8-17(2)15-23(21)38-26/h3,8-13,15H,1,4-7,14,16H2,2H3,(H,30,34)InChIKey
VXWJAIFSRZDVDL-UHFFFAOYSA-NSynonyms
2((3allyl4oxo345678hexahydrobenzo(45)thieno(23d)pyrimidin2yl)thio)N(4(6methylbenzo(d)thiazol2yl)phenyl)acetamide
CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)CSC4=NC5=C(C6=C(S5)CCCC6)C(=O)N4CC=C
InChI=1SC29H26N4O2S3c13143328(35)2520645722(20)3727(25)3229(33)361624(34)301911918(101219)26312113817(2)1523(21)3826h381315H1471416H22H3(H3034)
MFCD04025951
N(4(6methyl13benzothiazol2yl)phenyl)2((4oxo3(prop2en1yl)345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)acetamide
N(4(6methyl13benzothiazol2yl)phenyl)2((4oxo3prop2enyl5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)acetamide
ZINC000001875684
ZINC01875684
ZINC1875684
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