Vitas-M small molecule compound
N-(3-chloro-4-methoxyphenyl)-2-{[3-(2-methoxyphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}acetamide
Catalog ID
STL441046
SMILES COc1ccccc1n1c(SCC(=O)Nc2ccc(c(c2)Cl)OC)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1
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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 C33H32ClN3O4S MW 602.15 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H32ClN3O4S/c1-40-26-15-14-22(18-24(26)34)35-28(38)20-42-32-36-30-23-11-5-4-10-21(23)19-33(16-8-3-9-17-33)29(30)31(39)37(32)25-12-6-7-13-27(25)41-2/h4-7,10-15,18H,3,8-9,16-17,19-20H2,1-2H3,(H,35,38)InChIKey
KLSNHAAYAGTPQO-UHFFFAOYSA-NSynonyms
COC1=C(C=C(C=C1)NC(=O)CSC2=NC3=C(C(=O)N2C4=CC=CC=C4OC)C5(CCCCC5)CC6=CC=CC=C63)Cl
InChI=1SC33H32ClN3O4Sc14026151422(1824(26)34)3528(38)20423236302311541021(23)1933(168391733)29(30)31(39)37(32)2512671327(25)412h47101518H38916171920H212H3(H3538)
MFCD06243771
N(3chloro4methoxyphenyl)2((3(2methoxyphenyl)4oxo46dihydro3Hspiro(benzo(h)quinazoline51cyclohexan)2yl)sulfanyl)acetamide
N(3CHLORO4METHOXYPHENYL)2(3(2METHOXYPHENYL)4OXOSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)2YL)SULFANYLACETAMIDE
ZINC000008769640
ZINC8769640
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